SCHEMBL4139917

SCHEMBL4139917

C=CCONC1CN(C(=O)OC(C)(C)C)Cc2c1cnn2-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
POLB P06746 1/20 0.48
THRB P10828 2/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 7/20 0.45
TDP1 Q9NUW8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4696280 0.88 NPC1 (0.41)
SCHEMBL5186984 0.85 BCDIN3D (0.35) LMNATP53
SCHEMBL4147836 0.79 LMNA (0.40) LMNAPOLBTHRBMAPTTP53
SCHEMBL4151205 0.79 TP53 (0.42) LMNATHRBMAPTTP53
SCHEMBL5225649 0.79 POLB (0.38) POLBMAPT
SCHEMBL4143177 0.79 POLB (0.52) LMNAPOLBTHRBMAPTTP53
SCHEMBL21638910 0.76 KMT2A (0.42) POLBTHRBMAPTTDP1
SCHEMBL5185317 0.76 PREP (0.34) LMNA
SCHEMBL5185621 0.75 NAMPT (0.36) MAPT
SCHEMBL4134354 0.75 LMNA (0.43) LMNAPOLBTHRBMAPTTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB LMNA 641/4885POLB 387/4885THRB 3813/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI LMNA 529/4885POLB 319/4885THRB 3595/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.